#include "source_pw/module_pwdft/kernels/stress_op.h"

#include "source_base/module_device/memory_op.h"

#include <complex>
#include <gtest/gtest.h>
#include <vector>

TEST(TestSrcPWStressMultiDevice, cal_dbecp_noevc_nl_op_cpu)
{
    const int ipol = 0, jpol = 0, nkb = 8, npw = 59, npwx = 70, ik = 0;

    const double tpiba = 0.61599855952741045;

    std::vector<double> gcar = {2.0000000000000000, -2.0000000000000000, -2.0000000000000000, 1.0000000000000000, -1.0000000000000000, -1.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, -1.0000000000000000, 1.0000000000000000, 1.0000000000000000, -2.0000000000000000, 2.0000000000000000, 2.0000000000000000, 2.0000000000000000, -2.0000000000000000, 0.0000000000000000, 1.0000000000000000, -1.0000000000000000, 1.0000000000000000, 0.0000000000000000, 0.0000000000000000, 2.0000000000000000, -1.0000000000000000, 1.0000000000000000, 3.0000000000000000, 2.0000000000000000, -2.0000000000000000, 2.0000000000000000, 1.0000000000000000, -1.0000000000000000, 3.0000000000000000, -1.0000000000000000, 1.0000000000000000, -3.0000000000000000, -2.0000000000000000, 2.0000000000000000, -2.0000000000000000, 1.0000000000000000, -1.0000000000000000, -3.0000000000000000, 0.0000000000000000, 0.0000000000000000, -2.0000000000000000, -1.0000000000000000, 1.0000000000000000, -1.0000000000000000, -2.0000000000000000, 2.0000000000000000, 0.0000000000000000, 2.0000000000000000, 0.0000000000000000, -2.0000000000000000, 1.0000000000000000, 1.0000000000000000, -1.0000000000000000, 0.0000000000000000, 2.0000000000000000, 0.0000000000000000, -1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 3.0000000000000000, -1.0000000000000000, -1.0000000000000000, 2.0000000000000000, 0.0000000000000000, 0.0000000000000000, 1.0000000000000000, 1.0000000000000000, 1.0000000000000000, 0.0000000000000000, 2.0000000000000000, 2.0000000000000000, 3.0000000000000000, -1.0000000000000000, 1.0000000000000000, 2.0000000000000000, 0.0000000000000000, 2.0000000000000000, 1.0000000000000000, 1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 1.0000000000000000, -3.0000000000000000, 0.0000000000000000, 2.0000000000000000, -2.0000000000000000, -1.0000000000000000, 3.0000000000000000, -1.0000000000000000, 2.0000000000000000, 2.0000000000000000, -2.0000000000000000, 1.0000000000000000, 3.0000000000000000, -1.0000000000000000, 3.0000000000000000, 1.0000000000000000, -1.0000000000000000, 2.0000000000000000, 2.0000000000000000, 0.0000000000000000, 1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 1.0000000000000000, 2.0000000000000000, 2.0000000000000000, 2.0000000000000000, -1.0000000000000000, -3.0000000000000000, 1.0000000000000000, -2.0000000000000000, -2.0000000000000000, 2.0000000000000000, -2.0000000000000000, -2.0000000000000000, -2.0000000000000000, -3.0000000000000000, -1.0000000000000000, -1.0000000000000000, -1.0000000000000000, -3.0000000000000000, -1.0000000000000000, -2.0000000000000000, -2.0000000000000000, 0.0000000000000000, -3.0000000000000000, -1.0000000000000000, 1.0000000000000000, 1.0000000000000000, -3.0000000000000000, -1.0000000000000000, 0.0000000000000000, -2.0000000000000000, 0.0000000000000000, -1.0000000000000000, -1.0000000000000000, 1.0000000000000000, -2.0000000000000000, 0.0000000000000000, 2.0000000000000000, 1.0000000000000000, -3.0000000000000000, 1.0000000000000000, 0.0000000000000000, -2.0000000000000000, 2.0000000000000000, -1.0000000000000000, -1.0000000000000000, 3.0000000000000000, -1.0000000000000000, -1.0000000000000000, -3.0000000000000000, -2.0000000000000000, 0.0000000000000000, -2.0000000000000000, -3.0000000000000000, 1.0000000000000000, -1.0000000000000000, 0.0000000000000000, -2.0000000000000000, -2.0000000000000000, -1.0000000000000000, -1.0000000000000000, -1.0000000000000000, -2.0000000000000000, 0.0000000000000000, 0.0000000000000000, -3.0000000000000000, 1.0000000000000000, 1.0000000000000000};
    std::vector<double> kvec_c = {0.0000000000000000, 0.0000000000000000, 0.0000000000000000};

    std::vector<std::complex<double>> vkb = {{0.1959277889216247, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.3833320420712772, -0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.1959277889216247, -0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.3121883316125419, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.1959277889216247, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.1959277889216247, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.3121883316125419, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.3121883316125419, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.3121883316125419, 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{0.3121883316125419, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.3121883316125419, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.1588244263337111, 0.0000000000000000}, {0.2318163335599036, 0.0000000000000000}, {0.2916492898304017, 0.0000000000000000}, {0.2605982137021648, 0.0000000000000000}, {0.1588244263337111, 0.0000000000000000}, {0.2605982137021648, 0.0000000000000000}, {0.3602727707771828, 0.0000000000000000}, {0.3602727707771828, 0.0000000000000000}, {0.2605982137021648, 0.0000000000000000}, {0.2768133075187308, 0.0000000000000000}, {0.2117172164531642, 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0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}};

    std::vector<std::complex<double>> dbecp_noevc(expected_dbecpnoevc.size(), 0);
    hamilt::cal_dbecp_noevc_nl_op<double, base_device::DEVICE_CPU>()(cpu_ctx,
                                                                     ipol,
                                                                     jpol,
                                                                     nkb,
                                                                     npw,
                                                                     npwx,
                                                                     ik,
                                                                     tpiba,
                                                                     gcar.data(),
                                                                     kvec_c.data(),
                                                                     vkb0i.data(),
                                                                     vkb0j.data(),
                                                                     vkb.data(),
                                                                     vkb1.data(),
                                                                     vkb2.data(),
                                                                     dbecp_noevc.data());

    for (int ii = 0; ii < dbecp_noevc.size(); ii++) {
        EXPECT_LT(fabs(dbecp_noevc[ii] - expected_dbecpnoevc[ii]), 6e-5);
    }
}

TEST(TestSrcPWStressMultiDevice, cal_stress_nl_op_cpu)
{
    bool multi_proj = false;
    int ipol = 0, jpol = 0, nkb = 8, npw = 59, npwx = 70, ik = 0,
            nbands_occ = 4, ntype = 1, spin = 0, wg_nc = 14, deeq_2 = 2,
            deeq_3 = 4, deeq_4 = 4;

    double tpiba = 0.61599855952741045;

    std::vector<int> atom_na {2};
    std::vector<int> atom_nh {4};

    std::vector<double> wg = {0.0312500000000000, 0.0312500000000000, 0.0312500000000000, 0.0312500000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000};
    std::vector<double> ekb = {0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000};
    std::vector<double> qq_nt
        = {1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           3.6833041305199998, 1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           0.0000000000000000, 3.6833041305199998};
    std::vector<double> deeq = {1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998};
    std::vector<double> expected_stress = {0.0756853725856800, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000};

    std::vector<std::complex<double>> becp = {{0.3822224563153840, 0.2843496698733989}, {0.0000000047405057, -0.0000000063622467}, {-0.0000000221885661, -0.0000000077445564}, {-0.0000000315900339, 0.0000000066031753}, {0.3822219882868894, 0.2843493245749873}, {-0.0000000025566157, -0.0000000037074709}, {-0.0000000112422185, -0.0000000038960692}, {-0.0000000274204417, -0.0000000050354909}, {0.0000000263174842, 0.0000000840706738}, {-0.1423432709137335, -0.1067865593040708}, {0.0994283275636497, -0.0296568132215046}, {-0.1130231022815482, 0.0114126493034118}, {0.0000000192710833, 0.0000000826930318}, {0.1423432909390048, 0.1067865978075706}, {-0.0994283312566920, 0.0296568283839560}, {0.1130231394751445, -0.0114126422350418}, {0.0000000249554797, -0.0000000163412887}, {0.0126173311750538, 0.0505025208030164}, {-0.0992900839174669, 0.1049613257754194}, {-0.1752338959031504, 0.0322947917215720}, {0.0000000314063438, -0.0000000107784857}, {-0.0126173544966048, -0.0505025251050050}, {0.0992901142513072, -0.1049613517795691}, {0.1752339295113088, -0.0322947599296606}, {0.0000000418723599, -0.0000000327967579}, {0.0499915139695752, -0.1358717339908930}, {-0.1207341770424313, -0.0954845098114184}, {-0.0053210967996738, 0.1032100190657011}, {0.0000000478743291, -0.0000000444823110}, {-0.0499915463025769, 0.1358718262641271}, {0.1207342829577684, 0.0954846088542195}, {0.0053210956935376, -0.1032100914804113}, {0.0000001068847889, 0.0000001181241550}, {0.0000001305452835, 0.0000001442724141}, {0.0000001594428453, 0.0000001762083066}, {0.0000001947364746, 0.0000002152126487}, {0.0000002378416024, 0.0000002628496293}, {0.0000002904868037, 0.0000003210294785}, {0.0000003547830455, 0.0000003920849856}, {0.0000004333082382, 0.0000004788649257}, {0.0000005292104672, 0.0000005848481251}, {0.0000006463340280, 0.0000007142827203}, {0.0000007893732947, 0.0000008723561666}, {0.0000009640605597, 0.0000010654027757}, {0.0000011773953314, 0.0000013011570524}, {0.0000014379242254, 0.0000015890629176}, {0.0000017560825876, 0.0000019406511204}, {0.0000021446114368, 0.0000023699998412}, {0.0000026190662889, 0.0000028942967740}, {0.0000031984380579, 0.0000035345249838}, {0.0000039059106450, 0.0000043162997065}, {0.0000047697852053, 0.0000052708891942}, {0.0000058246076273, 0.0000064364599272}, {0.0000071125437223, 0.0000078595952900}, {0.0000086850562956, 0.0000095971474833}, {0.0000106049500357, 0.0000117184953983}, {0.0000129488644412, 0.0000143082969262}, {0.0000158103123394, 0.0000174698432637}, {0.0000193033825817, 0.0000213291459321}, {0.0000235672509859, 0.0000260399152734}, {0.0000287716744541, 0.0000317896231345}, {0.0000351236805296, 0.0000388068835033}, {0.0000428757097852, 0.0000473704344239}, {0.0000523355228617, 0.0000578200643309}, {0.0000638782496584, 0.0000705698979552}, {0.0000779610371221, 0.0000861245435617}, {0.0000951408470466, 0.0001050987072471}, {0.0001160960690513, 0.0001282410045273}, {0.0001416527500887, 0.0001564628482636}, {0.0001728164043580, 0.0001908734692787}, {0.0002108105608012, 0.0002328223367531}, {0.0002571234347964, 0.0002839504948514}, {0.0003135643816117, 0.0003462526262419}, {0.0003823321079660, 0.0004221519981263}, {0.0004660969911826, 0.0005145908492938}, {0.0005681002892969, 0.0006271392433178}, {0.0006922735267517, 0.0007641259500957}, {0.0008433819139013, 0.0009307955291415}, {0.0010271963084076, 0.0011334964765463}, {0.0012506989528594, 0.0013799060603236}, {0.0015223290208384, 0.0016792982989649}, {0.0018522748607834, 0.0020428624165972}, {0.0022528207210042, 0.0024840800058399}, {0.0027387566255197, 0.0030191699939689}, {0.0033278608972953, 0.0036676112650506}, {0.0040414654826298, 0.0044527533271638}, {0.0049051146047016, 0.0054025255635577}, {0.0059493271489466, 0.0065502551556389}, {0.0072104723217411, 0.0079356023901138}, {0.0087317661390834, 0.0096056193626829}, {0.0105643927399804, 0.0116159335008867}, {0.0127687487363306, 0.0140320501542341}, {0.0154158000026934, 0.0169307578066049}, {0.0185885274643147, 0.0204016041438614}, {0.0223834202827117, 0.0245483898500704}, {0.0269119498674243, 0.0294905979689132}, {0.0323019245920026, 0.0353646381152225}, {0.0386985810007877, 0.0423247346918169}, {0.0462652106588671, 0.0505432246455199}, {0.0551830507360847, 0.0602099514549019}, {0.0656500796297109, 0.0715303472823672}, {0.0778782563065075, 0.0847216851955341}, {0.0920886255622899, 0.1000068617622328}, {0.1085035864733623, 0.1176049447506212}, {0.1273354987984115, 0.1377176056755487}, {0.1487707001614866, 0.1605104754331964}, {0.1729479548574285, 0.1860884492515057}, {0.1999303955871250, 0.2144640752215042}, {0.2296702125402119, 0.2455184586467886}, {0.2619657691442796, 0.2789546907877769}, {0.2964115783982629, 0.3142447715396228}, {0.3323427696050946, 0.3505724546933086}};
    std::vector<std::complex<double>> dbecp = {{-0.3968013160234298, -0.2951954285398501}, {-0.0000000018274627, 0.0000000034091255}, {0.0000000476300934, 0.0000000166257225}, {0.0000000180998023, -0.0000000023594926}, {-0.3968008898814409, -0.2951951140708620}, {0.0000000005567427, 0.0000000025512194}, {0.0000000229895970, 0.0000000079724392}, {0.0000000167415341, 0.0000000014413096}, {-0.0000000026174184, 0.0000000012487815}, {0.1230095511740903, 0.0922823199441691}, {-0.2437547660698587, 0.0727055552275573}, {0.0976717874244303, -0.0098625331883941}, {0.0000000045404125, 0.0000000024011674}, {-0.1230095219426823, -0.0922823070969898}, {0.2437547609009624, -0.0727055484521760}, {-0.0976717740137830, 0.0098625270185677}, {0.0000000049680599, -0.0000000002522028}, {-0.0109035928448508, -0.0436430333758879}, {0.2434158601277590, -0.2573192363956319}, {0.1514328173897781, -0.0279083540606013}, {-0.0000000031677542, -0.0000000031903892}, {0.0109036003822807, 0.0436430239877767}, {-0.2434158919387226, 0.2573193062054900}, {-0.1514327898988280, 0.0279083300282760}, {0.0000000060975568, -0.0000000048858413}, {-0.0432014349179432, 0.1174170187419732}, {0.2959873986513963, 0.2340862748684743}, {0.0045983634023068, -0.0891915655445241}, {-0.0000000099384690, 0.0000000050768091}, {0.0432014425090816, -0.1174170397799131}, {-0.2959876001950912, -0.2340864466551855}, {-0.0045983613371922, 0.0891915833111229}, {0.0000016655959835, 0.0000017510195859}, {0.0000018408257708, 0.0000019352395254}, {0.0000020344974885, 0.0000021388480224}, {0.0000022485533513, 0.0000023638874892}, {0.0000024851401929, 0.0000026126155658}, {0.0000027466327025, 0.0000028875282801}, {0.0000030356550337, 0.0000031913849538}, {0.0000033551087476, 0.0000035272367046}, {0.0000037082017763, 0.0000038984574394}, {0.0000040984814056, 0.0000043087762732}, {0.0000045298707477, 0.0000047623190661}, {0.0000050067058872, 0.0000052636459618}, {0.0000055337849138, 0.0000058178020289}, {0.0000061164112085, 0.0000064303654764}, {0.0000067604539039, 0.0000071075084013}, {0.0000074724020943, 0.0000078560559307}, {0.0000082594355244, 0.0000086835597465}, {0.0000091294975934, 0.0000095983747877}, {0.0000100913766411, 0.0000106097473689}, {0.0000111547974693, 0.0000117279070898}, {0.0000123305245859, 0.0000129641777091}, {0.0000136304715470, 0.0000143310953580}, {0.0000150678278004, 0.0000158425392021}, {0.0000166571982603, 0.0000175138769245}, {0.0000184147567372, 0.0000193621318143}, {0.0000203584206422, 0.0000214061634153}, {0.0000225080396905, 0.0000236668674923}, {0.0000248856156575, 0.0000261674071580}, {0.0000275155354747, 0.0000289334644421}, {0.0000304248457634, 0.0000319935224187}, {0.0000336435462405, 0.0000353791820137}, {0.0000372049283901, 0.0000391255195714}, {0.0000411459477057, 0.0000432714781975}, {0.0000455076526162, 0.0000478603236690}, {0.0000503356501508, 0.0000529401384310}, {0.0000556806447093, 0.0000585643969985}, {0.0000615990320267, 0.0000647925948627}, {0.0000681535873045, 0.0000716909738337}, {0.0000754142226143, 0.0000793333325486}, {0.0000834588617513, 0.0000878019601639}, {0.0000923744145238, 0.0000971886723857}, {0.0001022578998667, 0.0001075960100657}, {0.0001132177151285, 0.0001191385825089}, {0.0001253750821688, 0.0001319446346404}, {0.0001388656931299, 0.0001461577886013}, {0.0001538416116707, 0.0001619390752429}, {0.0001704734126210, 0.0001794692466348}, {0.0001889526839861, 0.0001989514226639}, {0.0002094948352964, 0.0002206141669598}, {0.0002323424532407, 0.0002447148917575}, {0.0002577688660120, 0.0002715440711772}, {0.0002860827366003, 0.0003014297283084}, {0.0003176328473230, 0.0003347429028048}, {0.0003528139319169, 0.0003719036523160}, {0.0003920733033433, 0.0004133883348634}, {0.0004359184355265, 0.0004597378235472}, {0.0004849257498879, 0.0005115667128724}, {0.0005397507675994, 0.0005695742010076}, {0.0006011395651476, 0.0006345564732465}, {0.0006699419202639, 0.0007074208158414}, {0.0007471264573715, 0.0007892012568016}, {0.0008337973421338, 0.0008810768845168}, {0.0009312133317734, 0.0009843916165643}, {0.0010408090615384, 0.0011006761144741}, {0.0011642174877366, 0.0012316721297047}, {0.0013032951060666, 0.0013793575565867}, {0.0014601478141137, 0.0015459723496944}, {0.0016371562939457, 0.0017340444045349}, {0.0018370013548900, 0.0019464124264495}, {0.0020626839266792, 0.0021862431396714}, {0.0023175384724405, 0.0024570389239040}, {0.0026052331032675, 0.0027626284949018}, {0.0029297492028134, 0.0031071332870231}, {0.0032953300104885, 0.0034948945386015}, {0.0037063829897922, 0.0039303453746640}, {0.0041673162235799, 0.0044178042896882}, {0.0046822795025145, 0.0049611566395348}, {0.0052547768360158, 0.0055633838800482}, {0.0058870982291137, 0.0062258836182806}, {0.0065795106541396, 0.0069475113366125}};

    std::vector<double> stress(expected_stress.size(), 0);
    hamilt::cal_stress_nl_op<double, base_device::DEVICE_CPU>()(cpu_ctx,
                                                                multi_proj,
                                                                ipol,
                                                                jpol,
                                                                nkb,
                                                                nbands_occ,
                                                                ntype,
                                                                spin,
                                                                deeq_2,
                                                                deeq_3,
                                                                deeq_4,
                                                                atom_nh.data(),
                                                                atom_na.data(),
                                                                wg.data(),
                                                                true,
                                                                ekb.data(),
                                                                qq_nt.data(),
                                                                deeq.data(),
                                                                becp.data(),
                                                                dbecp.data(),
                                                                stress.data());

    for (int ii = 0; ii < stress.size(); ii++) {
        EXPECT_LT(fabs(stress[ii] - expected_stress[ii]), 6e-5);
    }
}

#if __CUDA || __UT_USE_CUDA || __ROCM || __UT_USE_ROCM
TEST(TestSrcPWStressMultiDevice, cal_dbecp_noevc_nl_op_gpu)
{
    const int ipol = 0, jpol = 0, nkb = 8, npw = 59, npwx = 70, ik = 0;

    const double tpiba = 0.61599855952741045;

    std::vector<double> gcar = {2.0000000000000000, -2.0000000000000000, -2.0000000000000000, 1.0000000000000000, -1.0000000000000000, -1.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, -1.0000000000000000, 1.0000000000000000, 1.0000000000000000, -2.0000000000000000, 2.0000000000000000, 2.0000000000000000, 2.0000000000000000, -2.0000000000000000, 0.0000000000000000, 1.0000000000000000, -1.0000000000000000, 1.0000000000000000, 0.0000000000000000, 0.0000000000000000, 2.0000000000000000, -1.0000000000000000, 1.0000000000000000, 3.0000000000000000, 2.0000000000000000, -2.0000000000000000, 2.0000000000000000, 1.0000000000000000, -1.0000000000000000, 3.0000000000000000, -1.0000000000000000, 1.0000000000000000, -3.0000000000000000, -2.0000000000000000, 2.0000000000000000, -2.0000000000000000, 1.0000000000000000, -1.0000000000000000, -3.0000000000000000, 0.0000000000000000, 0.0000000000000000, -2.0000000000000000, -1.0000000000000000, 1.0000000000000000, -1.0000000000000000, -2.0000000000000000, 2.0000000000000000, 0.0000000000000000, 2.0000000000000000, 0.0000000000000000, -2.0000000000000000, 1.0000000000000000, 1.0000000000000000, -1.0000000000000000, 0.0000000000000000, 2.0000000000000000, 0.0000000000000000, -1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 3.0000000000000000, -1.0000000000000000, -1.0000000000000000, 2.0000000000000000, 0.0000000000000000, 0.0000000000000000, 1.0000000000000000, 1.0000000000000000, 1.0000000000000000, 0.0000000000000000, 2.0000000000000000, 2.0000000000000000, 3.0000000000000000, -1.0000000000000000, 1.0000000000000000, 2.0000000000000000, 0.0000000000000000, 2.0000000000000000, 1.0000000000000000, 1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 1.0000000000000000, -3.0000000000000000, 0.0000000000000000, 2.0000000000000000, -2.0000000000000000, -1.0000000000000000, 3.0000000000000000, -1.0000000000000000, 2.0000000000000000, 2.0000000000000000, -2.0000000000000000, 1.0000000000000000, 3.0000000000000000, -1.0000000000000000, 3.0000000000000000, 1.0000000000000000, -1.0000000000000000, 2.0000000000000000, 2.0000000000000000, 0.0000000000000000, 1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 3.0000000000000000, 1.0000000000000000, 1.0000000000000000, 2.0000000000000000, 2.0000000000000000, 2.0000000000000000, -1.0000000000000000, -3.0000000000000000, 1.0000000000000000, -2.0000000000000000, -2.0000000000000000, 2.0000000000000000, -2.0000000000000000, -2.0000000000000000, -2.0000000000000000, -3.0000000000000000, -1.0000000000000000, -1.0000000000000000, -1.0000000000000000, -3.0000000000000000, -1.0000000000000000, -2.0000000000000000, -2.0000000000000000, 0.0000000000000000, -3.0000000000000000, -1.0000000000000000, 1.0000000000000000, 1.0000000000000000, -3.0000000000000000, -1.0000000000000000, 0.0000000000000000, -2.0000000000000000, 0.0000000000000000, -1.0000000000000000, -1.0000000000000000, 1.0000000000000000, -2.0000000000000000, 0.0000000000000000, 2.0000000000000000, 1.0000000000000000, -3.0000000000000000, 1.0000000000000000, 0.0000000000000000, -2.0000000000000000, 2.0000000000000000, -1.0000000000000000, -1.0000000000000000, 3.0000000000000000, -1.0000000000000000, -1.0000000000000000, -3.0000000000000000, -2.0000000000000000, 0.0000000000000000, -2.0000000000000000, -3.0000000000000000, 1.0000000000000000, -1.0000000000000000, 0.0000000000000000, -2.0000000000000000, -2.0000000000000000, -1.0000000000000000, -1.0000000000000000, -1.0000000000000000, -2.0000000000000000, 0.0000000000000000, 0.0000000000000000, -3.0000000000000000, 1.0000000000000000, 1.0000000000000000};
    std::vector<double> kvec_c = {0.0000000000000000};

    std::vector<std::complex<double>> vkb = {{0.1959277889216247, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.3833320420712772, -0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.1959277889216247, -0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.3121883316125419, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.1959277889216247, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.1959277889216247, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.3121883316125419, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.3121883316125419, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.3121883316125419, -0.0000000000000000}, {0.3292263195311197, -0.0000000000000000}, {0.2495383154917130, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2495383154917130, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.1959277889216247, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2495383154917130, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.2084900583919441, -0.0000000000000000}, {0.1959277889216247, -0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.1959277889216247, 0.0000000000000000}, {0.1959277889216247, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.3121883316125419, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.2495383154917130, 0.0000000000000000}, {0.3292263195311197, 0.0000000000000000}, {0.3121883316125419, 0.0000000000000000}, {0.2084900583919441, 0.0000000000000000}, {0.1588244263337111, 0.0000000000000000}, {0.2318163335599036, 0.0000000000000000}, {0.2916492898304017, 0.0000000000000000}, {0.2605982137021648, 0.0000000000000000}, {0.1588244263337111, 0.0000000000000000}, {0.2605982137021648, 0.0000000000000000}, {0.3602727707771828, 0.0000000000000000}, {0.3602727707771828, 0.0000000000000000}, {0.2605982137021648, 0.0000000000000000}, {0.2768133075187308, 0.0000000000000000}, {0.2117172164531642, 0.0000000000000000}, {-0.0000000000000000, 0.0839101408927066}, {-0.0000000000000000, 0.0619166231573246}, {0.0000000000000000, -0.0000000000000000}, {0.0000000000000000, -0.0619166231573246}, {0.0000000000000000, -0.0839101408927066}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, -0.0619166231573246}, {0.0000000000000000, -0.1191161929559753}, {0.0000000000000000, -0.1319268716568682}, {0.0000000000000000, -0.0839101408927066}, {0.0000000000000000, -0.1319268716568682}, {-0.0000000000000000, 0.1319268716568682}, {-0.0000000000000000, 0.0839101408927066}, {-0.0000000000000000, 0.1319268716568682}, {-0.0000000000000000, 0.1191161929559753}, {-0.0000000000000000, 0.0619166231573246}, {0.0000000000000000, 0.0000000000000000}, {-0.0000000000000000, 0.1007653341101891}, {-0.0000000000000000, 0.0619166231573246}, {0.0000000000000000, -0.0000000000000000}, {0.0000000000000000, -0.0439756238856227}, {-0.0000000000000000, 0.0439756238856227}, {0.0000000000000000, 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0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}, {0.0000000000000000, 0.0000000000000000}};
    std::vector<std::complex<double>> dbecp_noevc(expected_dbecpnoevc.size(), 0);

    std::complex<double> * d_vkb0i = nullptr, * d_vkb0j = nullptr, * d_vkb = nullptr,
                * d_vkb1 = nullptr, * d_vkb2 = nullptr, * d_dbecp_noevc = nullptr;
    double * d_gcar = nullptr, * d_kvec_c = nullptr;
    resmem_zd_op()(d_vkb0i, vkb0i.size());
    resmem_zd_op()(d_vkb0j, vkb0j.size());
    resmem_zd_op()(d_vkb, vkb.size());
    resmem_zd_op()(d_vkb1, vkb1.size());
    resmem_zd_op()(d_vkb2, vkb2.size());
    resmem_zd_op()(d_dbecp_noevc, dbecp_noevc.size());
    syncmem_z2z_h2d_op()(d_vkb0i, vkb0i.data(), vkb0i.size());
    syncmem_z2z_h2d_op()(d_vkb0j, vkb0j.data(), vkb0j.size());
    syncmem_z2z_h2d_op()(d_vkb, vkb.data(), vkb.size());
    syncmem_z2z_h2d_op()(d_vkb1, vkb1.data(), vkb1.size());
    syncmem_z2z_h2d_op()(d_vkb2, vkb2.data(), vkb2.size());
    syncmem_z2z_h2d_op()(d_dbecp_noevc, dbecp_noevc.data(), dbecp_noevc.size());

    resmem_dd_op()(d_gcar, gcar.size());
    resmem_dd_op()(d_kvec_c, kvec_c.size());

    syncmem_d2d_h2d_op()(d_gcar, gcar.data(), gcar.size());
    syncmem_d2d_h2d_op()(d_kvec_c, kvec_c.data(), kvec_c.size());

    hamilt::cal_dbecp_noevc_nl_op<double, base_device::DEVICE_GPU>()(gpu_ctx,
                                                                     ipol,
                                                                     jpol,
                                                                     nkb,
                                                                     npw,
                                                                     npwx,
                                                                     ik,
                                                                     tpiba,
                                                                     d_gcar,
                                                                     d_kvec_c,
                                                                     d_vkb0i,
                                                                     d_vkb0j,
                                                                     d_vkb,
                                                                     d_vkb1,
                                                                     d_vkb2,
                                                                     d_dbecp_noevc);

    syncmem_z2z_d2h_op()(dbecp_noevc.data(), d_dbecp_noevc, dbecp_noevc.size());

    for (int ii = 0; ii < dbecp_noevc.size(); ii++) {
        EXPECT_LT(fabs(dbecp_noevc[ii] - expected_dbecpnoevc[ii]), 6e-5);
    }

    delmem_zd_op()(d_vkb0i);
    delmem_zd_op()(d_vkb0j);
    delmem_zd_op()(d_vkb);
    delmem_zd_op()(d_vkb1);
    delmem_zd_op()(d_vkb2);
    delmem_zd_op()(d_dbecp_noevc);

    delmem_dd_op()(d_gcar);
    delmem_dd_op()(d_kvec_c);
}

TEST(TestSrcPWStressMultiDevice, cal_stress_nl_op_gpu)
{
    bool multi_proj = false;
    int ipol = 0, jpol = 0, nkb = 8, npw = 59, npwx = 70, ik = 0,
            nbands_occ = 4, ntype = 1, spin = 0, wg_nc = 14, deeq_2 = 2,
            deeq_3 = 4, deeq_4 = 4;

    double tpiba = 0.61599855952741045;

    std::vector<int> atom_na {2};
    std::vector<int> atom_nh {4};

    std::vector<double> wg = {0.0312500000000000, 0.0312500000000000, 0.0312500000000000, 0.0312500000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000};
    std::vector<double> ekb = {0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000,
                               0.0000000000000000};
    std::vector<double> qq_nt
        = {1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           3.6833041305199998, 1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000,
           0.0000000000000000, 3.6833041305199998};
    std::vector<double> deeq = {1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 1.5238850117900000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 3.6833041305199998};
    std::vector<double> expected_stress = {0.0756853725856800, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000, 0.0000000000000000};

    std::vector<std::complex<double>> becp = {{0.3822224563153840, 0.2843496698733989}, {0.0000000047405057, -0.0000000063622467}, {-0.0000000221885661, -0.0000000077445564}, {-0.0000000315900339, 0.0000000066031753}, {0.3822219882868894, 0.2843493245749873}, {-0.0000000025566157, -0.0000000037074709}, {-0.0000000112422185, -0.0000000038960692}, {-0.0000000274204417, -0.0000000050354909}, {0.0000000263174842, 0.0000000840706738}, {-0.1423432709137335, -0.1067865593040708}, {0.0994283275636497, -0.0296568132215046}, {-0.1130231022815482, 0.0114126493034118}, {0.0000000192710833, 0.0000000826930318}, {0.1423432909390048, 0.1067865978075706}, {-0.0994283312566920, 0.0296568283839560}, {0.1130231394751445, -0.0114126422350418}, {0.0000000249554797, -0.0000000163412887}, {0.0126173311750538, 0.0505025208030164}, {-0.0992900839174669, 0.1049613257754194}, {-0.1752338959031504, 0.0322947917215720}, {0.0000000314063438, -0.0000000107784857}, {-0.0126173544966048, -0.0505025251050050}, {0.0992901142513072, -0.1049613517795691}, {0.1752339295113088, -0.0322947599296606}, {0.0000000418723599, -0.0000000327967579}, {0.0499915139695752, -0.1358717339908930}, {-0.1207341770424313, -0.0954845098114184}, {-0.0053210967996738, 0.1032100190657011}, {0.0000000478743291, -0.0000000444823110}, {-0.0499915463025769, 0.1358718262641271}, {0.1207342829577684, 0.0954846088542195}, {0.0053210956935376, -0.1032100914804113}, {0.0000001068847889, 0.0000001181241550}, {0.0000001305452835, 0.0000001442724141}, {0.0000001594428453, 0.0000001762083066}, {0.0000001947364746, 0.0000002152126487}, {0.0000002378416024, 0.0000002628496293}, {0.0000002904868037, 0.0000003210294785}, {0.0000003547830455, 0.0000003920849856}, {0.0000004333082382, 0.0000004788649257}, {0.0000005292104672, 0.0000005848481251}, {0.0000006463340280, 0.0000007142827203}, {0.0000007893732947, 0.0000008723561666}, {0.0000009640605597, 0.0000010654027757}, {0.0000011773953314, 0.0000013011570524}, {0.0000014379242254, 0.0000015890629176}, {0.0000017560825876, 0.0000019406511204}, {0.0000021446114368, 0.0000023699998412}, {0.0000026190662889, 0.0000028942967740}, {0.0000031984380579, 0.0000035345249838}, {0.0000039059106450, 0.0000043162997065}, {0.0000047697852053, 0.0000052708891942}, {0.0000058246076273, 0.0000064364599272}, {0.0000071125437223, 0.0000078595952900}, {0.0000086850562956, 0.0000095971474833}, {0.0000106049500357, 0.0000117184953983}, {0.0000129488644412, 0.0000143082969262}, {0.0000158103123394, 0.0000174698432637}, {0.0000193033825817, 0.0000213291459321}, {0.0000235672509859, 0.0000260399152734}, {0.0000287716744541, 0.0000317896231345}, {0.0000351236805296, 0.0000388068835033}, {0.0000428757097852, 0.0000473704344239}, {0.0000523355228617, 0.0000578200643309}, {0.0000638782496584, 0.0000705698979552}, {0.0000779610371221, 0.0000861245435617}, {0.0000951408470466, 0.0001050987072471}, {0.0001160960690513, 0.0001282410045273}, {0.0001416527500887, 0.0001564628482636}, {0.0001728164043580, 0.0001908734692787}, {0.0002108105608012, 0.0002328223367531}, {0.0002571234347964, 0.0002839504948514}, {0.0003135643816117, 0.0003462526262419}, {0.0003823321079660, 0.0004221519981263}, {0.0004660969911826, 0.0005145908492938}, {0.0005681002892969, 0.0006271392433178}, {0.0006922735267517, 0.0007641259500957}, {0.0008433819139013, 0.0009307955291415}, {0.0010271963084076, 0.0011334964765463}, {0.0012506989528594, 0.0013799060603236}, {0.0015223290208384, 0.0016792982989649}, {0.0018522748607834, 0.0020428624165972}, {0.0022528207210042, 0.0024840800058399}, {0.0027387566255197, 0.0030191699939689}, {0.0033278608972953, 0.0036676112650506}, {0.0040414654826298, 0.0044527533271638}, {0.0049051146047016, 0.0054025255635577}, {0.0059493271489466, 0.0065502551556389}, {0.0072104723217411, 0.0079356023901138}, {0.0087317661390834, 0.0096056193626829}, {0.0105643927399804, 0.0116159335008867}, {0.0127687487363306, 0.0140320501542341}, {0.0154158000026934, 0.0169307578066049}, {0.0185885274643147, 0.0204016041438614}, {0.0223834202827117, 0.0245483898500704}, {0.0269119498674243, 0.0294905979689132}, {0.0323019245920026, 0.0353646381152225}, {0.0386985810007877, 0.0423247346918169}, {0.0462652106588671, 0.0505432246455199}, {0.0551830507360847, 0.0602099514549019}, {0.0656500796297109, 0.0715303472823672}, {0.0778782563065075, 0.0847216851955341}, {0.0920886255622899, 0.1000068617622328}, {0.1085035864733623, 0.1176049447506212}, {0.1273354987984115, 0.1377176056755487}, {0.1487707001614866, 0.1605104754331964}, {0.1729479548574285, 0.1860884492515057}, {0.1999303955871250, 0.2144640752215042}, {0.2296702125402119, 0.2455184586467886}, {0.2619657691442796, 0.2789546907877769}, {0.2964115783982629, 0.3142447715396228}, {0.3323427696050946, 0.3505724546933086}};
    std::vector<std::complex<double>> dbecp = {{-0.3968013160234298, -0.2951954285398501}, {-0.0000000018274627, 0.0000000034091255}, {0.0000000476300934, 0.0000000166257225}, {0.0000000180998023, -0.0000000023594926}, {-0.3968008898814409, -0.2951951140708620}, {0.0000000005567427, 0.0000000025512194}, {0.0000000229895970, 0.0000000079724392}, {0.0000000167415341, 0.0000000014413096}, {-0.0000000026174184, 0.0000000012487815}, {0.1230095511740903, 0.0922823199441691}, {-0.2437547660698587, 0.0727055552275573}, {0.0976717874244303, -0.0098625331883941}, {0.0000000045404125, 0.0000000024011674}, {-0.1230095219426823, -0.0922823070969898}, {0.2437547609009624, -0.0727055484521760}, {-0.0976717740137830, 0.0098625270185677}, {0.0000000049680599, -0.0000000002522028}, {-0.0109035928448508, -0.0436430333758879}, {0.2434158601277590, -0.2573192363956319}, {0.1514328173897781, -0.0279083540606013}, {-0.0000000031677542, -0.0000000031903892}, {0.0109036003822807, 0.0436430239877767}, {-0.2434158919387226, 0.2573193062054900}, {-0.1514327898988280, 0.0279083300282760}, {0.0000000060975568, -0.0000000048858413}, {-0.0432014349179432, 0.1174170187419732}, {0.2959873986513963, 0.2340862748684743}, {0.0045983634023068, -0.0891915655445241}, {-0.0000000099384690, 0.0000000050768091}, {0.0432014425090816, -0.1174170397799131}, {-0.2959876001950912, -0.2340864466551855}, {-0.0045983613371922, 0.0891915833111229}, {0.0000016655959835, 0.0000017510195859}, {0.0000018408257708, 0.0000019352395254}, {0.0000020344974885, 0.0000021388480224}, {0.0000022485533513, 0.0000023638874892}, {0.0000024851401929, 0.0000026126155658}, {0.0000027466327025, 0.0000028875282801}, {0.0000030356550337, 0.0000031913849538}, {0.0000033551087476, 0.0000035272367046}, {0.0000037082017763, 0.0000038984574394}, {0.0000040984814056, 0.0000043087762732}, {0.0000045298707477, 0.0000047623190661}, {0.0000050067058872, 0.0000052636459618}, {0.0000055337849138, 0.0000058178020289}, {0.0000061164112085, 0.0000064303654764}, {0.0000067604539039, 0.0000071075084013}, {0.0000074724020943, 0.0000078560559307}, {0.0000082594355244, 0.0000086835597465}, {0.0000091294975934, 0.0000095983747877}, {0.0000100913766411, 0.0000106097473689}, {0.0000111547974693, 0.0000117279070898}, {0.0000123305245859, 0.0000129641777091}, {0.0000136304715470, 0.0000143310953580}, {0.0000150678278004, 0.0000158425392021}, {0.0000166571982603, 0.0000175138769245}, {0.0000184147567372, 0.0000193621318143}, {0.0000203584206422, 0.0000214061634153}, {0.0000225080396905, 0.0000236668674923}, {0.0000248856156575, 0.0000261674071580}, {0.0000275155354747, 0.0000289334644421}, {0.0000304248457634, 0.0000319935224187}, {0.0000336435462405, 0.0000353791820137}, {0.0000372049283901, 0.0000391255195714}, {0.0000411459477057, 0.0000432714781975}, {0.0000455076526162, 0.0000478603236690}, {0.0000503356501508, 0.0000529401384310}, {0.0000556806447093, 0.0000585643969985}, {0.0000615990320267, 0.0000647925948627}, {0.0000681535873045, 0.0000716909738337}, {0.0000754142226143, 0.0000793333325486}, {0.0000834588617513, 0.0000878019601639}, {0.0000923744145238, 0.0000971886723857}, {0.0001022578998667, 0.0001075960100657}, {0.0001132177151285, 0.0001191385825089}, {0.0001253750821688, 0.0001319446346404}, {0.0001388656931299, 0.0001461577886013}, {0.0001538416116707, 0.0001619390752429}, {0.0001704734126210, 0.0001794692466348}, {0.0001889526839861, 0.0001989514226639}, {0.0002094948352964, 0.0002206141669598}, {0.0002323424532407, 0.0002447148917575}, {0.0002577688660120, 0.0002715440711772}, {0.0002860827366003, 0.0003014297283084}, {0.0003176328473230, 0.0003347429028048}, {0.0003528139319169, 0.0003719036523160}, {0.0003920733033433, 0.0004133883348634}, {0.0004359184355265, 0.0004597378235472}, {0.0004849257498879, 0.0005115667128724}, {0.0005397507675994, 0.0005695742010076}, {0.0006011395651476, 0.0006345564732465}, {0.0006699419202639, 0.0007074208158414}, {0.0007471264573715, 0.0007892012568016}, {0.0008337973421338, 0.0008810768845168}, {0.0009312133317734, 0.0009843916165643}, {0.0010408090615384, 0.0011006761144741}, {0.0011642174877366, 0.0012316721297047}, {0.0013032951060666, 0.0013793575565867}, {0.0014601478141137, 0.0015459723496944}, {0.0016371562939457, 0.0017340444045349}, {0.0018370013548900, 0.0019464124264495}, {0.0020626839266792, 0.0021862431396714}, {0.0023175384724405, 0.0024570389239040}, {0.0026052331032675, 0.0027626284949018}, {0.0029297492028134, 0.0031071332870231}, {0.0032953300104885, 0.0034948945386015}, {0.0037063829897922, 0.0039303453746640}, {0.0041673162235799, 0.0044178042896882}, {0.0046822795025145, 0.0049611566395348}, {0.0052547768360158, 0.0055633838800482}, {0.0058870982291137, 0.0062258836182806}, {0.0065795106541396, 0.0069475113366125}};

    std::vector<double> stress(expected_stress.size(), 0);
    std::complex<double> * d_becp = nullptr, * d_dbecp = nullptr;
    double * d_wg = nullptr, * d_deeq = nullptr, * d_stress = nullptr;
    double * d_ekb = nullptr, * d_qq_nt = nullptr;
    int * d_atom_nh = nullptr, * d_atom_na = nullptr;
    resmem_zd_op()(d_becp, becp.size());
    resmem_zd_op()(d_dbecp, dbecp.size());
    syncmem_z2z_h2d_op()(d_becp, becp.data(), becp.size());
    syncmem_z2z_h2d_op()(d_dbecp, dbecp.data(), dbecp.size());

    resmem_dd_op()(d_wg, wg.size());
    resmem_dd_op()(d_deeq, deeq.size());
    resmem_dd_op()(d_stress, stress.size());
    resmem_dd_op()(d_ekb, ekb.size());
    resmem_dd_op()(d_qq_nt, qq_nt.size());
    syncmem_d2d_h2d_op()(d_wg, wg.data(), wg.size());
    syncmem_d2d_h2d_op()(d_deeq, deeq.data(), deeq.size());
    syncmem_d2d_h2d_op()(d_stress, stress.data(), stress.size());
    syncmem_d2d_h2d_op()(d_ekb, ekb.data(), ekb.size());
    syncmem_d2d_h2d_op()(d_qq_nt, qq_nt.data(), qq_nt.size());

    using delmem_int_op = base_device::memory::delete_memory_op<int, base_device::DEVICE_GPU>;
    using resmem_int_op = base_device::memory::resize_memory_op<int, base_device::DEVICE_GPU>;
    using syncmem_int_h2d_op
        = base_device::memory::synchronize_memory_op<int, base_device::DEVICE_GPU, base_device::DEVICE_CPU>;

    resmem_int_op()(d_atom_nh, atom_nh.size());
    resmem_int_op()(d_atom_na, atom_na.size());
    syncmem_int_h2d_op()(d_atom_nh, atom_nh.data(), atom_nh.size());
    syncmem_int_h2d_op()(d_atom_na, atom_na.data(), atom_na.size());

    hamilt::cal_stress_nl_op<double, base_device::DEVICE_GPU>()(gpu_ctx,
                                                                multi_proj,
                                                                ipol,
                                                                jpol,
                                                                nkb,
                                                                nbands_occ,
                                                                ntype,
                                                                spin,
                                                                deeq_2,
                                                                deeq_3,
                                                                deeq_4,
                                                                d_atom_nh,
                                                                d_atom_na,
                                                                d_wg,
                                                                true,
                                                                d_ekb,
                                                                d_qq_nt,
                                                                d_deeq,
                                                                d_becp,
                                                                d_dbecp,
                                                                d_stress);

    syncmem_d2d_d2h_op()(stress.data(), d_stress, stress.size());

    for (int ii = 0; ii < stress.size(); ii++) {
        EXPECT_LT(fabs(stress[ii] - expected_stress[ii]), 6e-5);
    }

    delmem_zd_op()(d_becp);
    delmem_zd_op()(d_dbecp);

    delmem_dd_op()(d_wg);
    delmem_dd_op()(d_deeq);
    delmem_dd_op()(d_stress);
    delmem_dd_op()(d_ekb);
    delmem_dd_op()(d_qq_nt);

    delmem_int_op()(d_atom_nh);
    delmem_int_op()(d_atom_na);
}
#endif // __CUDA || __UT_USE_CUDA || __ROCM || __UT_USE_ROCM